==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 15-APR-13 4K5R . COMPND 2 MOLECULE: OXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES ARGILLACEUS; . AUTHOR N.NOINAJ,M.A.BOSSERMAN,J.ROHR,S.K.BUCHANAN . 981 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40665.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 692 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 167 17.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 84 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 252 25.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 2 3 1 2 0 0 1 9 0 2 0 0 0 0 0 0 2 0 0 0 0 0 0 0 2 0 RESIDUES PER ALPHA HELIX . 0 0 2 6 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 6 9 8 5 2 1 3 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 7 2 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 10 A A 0 0 33 0, 0.0 150,-0.2 0, 0.0 149,-0.1 0.000 360.0 360.0 360.0 -6.3 59.5 -4.3 14.1 2 11 A L + 0 0 144 1,-0.2 148,-0.1 148,-0.1 3,-0.1 0.844 360.0 33.0 -52.1 -43.7 56.6 -6.0 12.3 3 12 A T S S- 0 0 64 146,-1.5 2,-0.3 1,-0.3 -1,-0.2 0.888 130.5 -33.9 -85.5 -39.9 54.6 -7.1 15.3 4 13 A T E -a 150 0A 26 145,-1.3 147,-0.6 1,-0.1 -1,-0.3 -0.966 51.2-108.3-174.7 163.0 55.3 -4.2 17.8 5 14 A D E S+ 0 0 38 -2,-0.3 147,-1.6 1,-0.3 146,-1.3 0.947 102.3 14.5 -71.9 -50.7 58.0 -1.8 18.9 6 15 A V E -ab 152 29A 0 22,-2.1 24,-2.1 145,-0.2 2,-0.5 -0.984 65.0-155.3-134.4 124.1 58.8 -3.4 22.2 7 16 A V E -ab 153 30A 1 145,-2.5 147,-2.7 -2,-0.4 2,-0.6 -0.861 10.4-155.6 -97.4 125.7 57.9 -6.8 23.5 8 17 A V E -ab 154 31A 0 22,-4.0 24,-3.0 -2,-0.5 2,-0.8 -0.898 5.7-150.9-100.8 119.7 57.8 -7.2 27.3 9 18 A V E +ab 155 32A 6 145,-3.0 147,-2.0 -2,-0.6 24,-0.2 -0.796 67.4 27.5 -94.1 107.1 58.3 -10.8 28.5 10 19 A G - 0 0 7 22,-3.0 23,-0.2 -2,-0.8 22,-0.1 0.194 61.0-140.3 113.5 127.1 56.4 -11.2 31.8 11 20 A G + 0 0 4 4,-0.1 22,-0.1 20,-0.1 -1,-0.1 -0.192 58.3 123.9-111.8 39.0 53.4 -9.5 33.2 12 21 A G S > S- 0 0 22 144,-0.5 4,-2.2 1,-0.0 5,-0.2 -0.206 86.6 -79.2 -76.8-176.6 54.5 -9.2 36.8 13 22 A P H > S+ 0 0 10 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.858 131.7 51.5 -55.9 -37.6 54.5 -5.8 38.4 14 23 A V H > S+ 0 0 15 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.921 110.2 46.1 -71.1 -44.1 57.8 -4.8 36.8 15 24 A G H > S+ 0 0 0 141,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.885 114.2 49.8 -61.0 -38.7 56.7 -5.8 33.2 16 25 A L H X S+ 0 0 3 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.917 110.5 49.0 -71.1 -40.6 53.4 -4.0 33.7 17 26 A M H X S+ 0 0 4 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.928 111.2 51.3 -60.3 -43.6 55.1 -0.8 35.0 18 27 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.872 107.8 51.4 -63.2 -38.2 57.5 -0.9 32.0 19 28 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.847 108.0 52.7 -68.0 -37.3 54.7 -1.2 29.5 20 29 A G H X S+ 0 0 2 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.958 111.2 47.3 -56.7 -53.1 53.0 1.8 31.1 21 30 A E H X S+ 0 0 6 -4,-2.3 4,-1.1 1,-0.2 -2,-0.2 0.859 109.7 52.0 -58.8 -40.0 56.2 3.8 30.7 22 31 A L H <>S+ 0 0 0 -4,-2.2 5,-2.0 1,-0.2 -1,-0.2 0.890 110.8 48.6 -67.4 -36.9 56.7 2.7 27.1 23 32 A R H ><5S+ 0 0 78 -4,-1.9 3,-2.2 1,-0.2 -2,-0.2 0.898 106.9 54.6 -68.7 -39.9 53.2 3.8 26.2 24 33 A A H 3<5S+ 0 0 42 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.745 105.9 55.2 -65.8 -21.2 53.7 7.2 27.9 25 34 A G T 3<5S- 0 0 20 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.311 121.9-112.0 -90.1 5.5 56.7 7.5 25.6 26 35 A G T < 5S+ 0 0 39 -3,-2.2 2,-0.3 1,-0.2 -3,-0.2 0.788 75.2 117.3 71.2 31.1 54.4 6.9 22.6 27 36 A V < - 0 0 4 -5,-2.0 -1,-0.2 -21,-0.0 2,-0.2 -0.948 68.4 -93.2-127.9 155.9 55.6 3.5 21.4 28 37 A G - 0 0 19 -2,-0.3 -22,-2.1 276,-0.1 2,-0.4 -0.399 37.5-171.6 -68.1 132.8 54.0 0.1 21.1 29 38 A A E -b 6 0A 4 87,-0.3 89,-1.9 -2,-0.2 2,-0.5 -0.986 8.0-171.8-130.0 124.2 54.3 -2.4 24.0 30 39 A L E -bc 7 118A 3 -24,-2.1 -22,-4.0 -2,-0.4 2,-0.6 -0.968 10.4-157.2-114.8 124.8 53.2 -6.0 24.0 31 40 A V E -bc 8 119A 0 87,-2.8 89,-2.7 -2,-0.5 2,-0.7 -0.910 2.4-163.9-106.8 118.4 53.3 -7.9 27.3 32 41 A L E -bc 9 120A 2 -24,-3.0 -22,-3.0 -2,-0.6 2,-0.4 -0.924 11.5-172.6-101.7 112.9 53.5 -11.7 27.1 33 42 A E E - c 0 121A 25 87,-2.9 90,-2.3 -2,-0.7 89,-0.8 -0.915 19.2-150.3-111.6 132.5 52.6 -13.2 30.4 34 43 A K S S+ 0 0 117 -2,-0.4 90,-0.2 88,-0.2 -1,-0.1 0.943 75.1 71.0 -65.9 -52.1 53.0 -17.0 31.1 35 44 A L - 0 0 75 1,-0.1 87,-1.7 87,-0.1 88,-0.3 -0.289 67.4-147.7 -67.9 149.9 50.2 -17.4 33.7 36 45 A V S S+ 0 0 91 1,-0.3 -1,-0.1 85,-0.3 85,-0.1 0.723 90.2 23.6 -84.5 -26.1 46.5 -17.3 32.7 37 46 A E S S- 0 0 155 84,-0.0 -1,-0.3 85,-0.0 -3,-0.0 -0.995 92.3-104.9-142.5 133.0 45.7 -15.9 36.1 38 47 A P - 0 0 78 0, 0.0 2,-0.1 0, 0.0 -26,-0.0 -0.262 34.3-136.9 -54.4 137.0 47.8 -13.9 38.6 39 48 A V - 0 0 64 1,-0.1 2,-0.3 -4,-0.0 -4,-0.0 -0.257 23.7-106.0 -79.3-177.2 48.9 -16.0 41.6 40 49 A G - 0 0 41 -2,-0.1 2,-0.1 1,-0.0 3,-0.1 -0.824 35.8-173.4-117.1 155.1 48.8 -14.5 45.1 41 50 A H - 0 0 59 -2,-0.3 2,-0.2 1,-0.2 4,-0.0 -0.453 44.4 -44.8-125.0-165.3 51.6 -13.4 47.3 42 51 A D - 0 0 42 -2,-0.1 59,-0.6 1,-0.1 60,-0.3 -0.539 52.5-145.7 -61.3 134.1 52.7 -12.1 50.7 43 52 A R S S+ 0 0 53 1,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.231 80.6 82.9 -94.6 9.5 50.0 -9.6 51.3 44 53 A A + 0 0 56 55,-0.1 -1,-0.2 56,-0.1 55,-0.1 -0.449 60.2 165.1-112.0 63.2 52.3 -7.3 53.2 45 54 A G - 0 0 18 -2,-0.3 2,-0.4 -3,-0.1 -2,-0.0 -0.285 21.2-152.4 -68.9 158.5 54.0 -5.3 50.4 46 55 A A - 0 0 24 52,-0.2 2,-0.5 240,-0.0 244,-0.2 -0.990 9.3-166.1-136.1 130.2 55.9 -2.2 51.0 47 56 A L B -H 97 0B 3 50,-2.2 50,-2.3 -2,-0.4 2,-0.1 -0.975 24.1-148.2-112.2 120.1 56.5 0.7 48.7 48 57 A H >> - 0 0 2 -2,-0.5 4,-2.8 48,-0.2 3,-1.1 -0.295 29.3 -83.2 -91.7 174.2 59.2 3.0 50.0 49 58 A I H 3> S+ 0 0 0 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.846 124.2 43.6 -40.5 -61.1 59.8 6.7 49.7 50 59 A R H 3> S+ 0 0 11 323,-1.8 4,-1.3 1,-0.2 -1,-0.3 0.738 115.0 50.3 -66.7 -24.4 61.5 6.9 46.3 51 60 A T H <> S+ 0 0 2 -3,-1.1 4,-2.6 322,-0.4 -1,-0.2 0.928 111.5 48.5 -75.0 -46.4 59.0 4.5 44.8 52 61 A V H X S+ 0 0 1 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.904 111.3 50.0 -53.8 -46.1 56.2 6.6 46.1 53 62 A E H X S+ 0 0 7 -4,-2.8 4,-1.5 -5,-0.3 -1,-0.2 0.877 110.8 50.9 -62.5 -36.4 57.8 9.7 44.7 54 63 A T H < S+ 0 0 7 -4,-1.3 4,-0.5 -5,-0.2 -2,-0.2 0.911 108.3 50.1 -68.8 -42.2 58.1 8.0 41.4 55 64 A L H ><>S+ 0 0 5 -4,-2.6 5,-2.9 1,-0.2 6,-1.0 0.860 107.0 57.9 -61.7 -36.2 54.5 6.9 41.4 56 65 A D H ><5S+ 0 0 12 -4,-2.0 3,-1.2 1,-0.2 -1,-0.2 0.900 103.5 49.4 -62.1 -42.4 53.6 10.6 42.1 57 66 A L T 3<5S+ 0 0 0 -4,-1.5 362,-0.3 1,-0.3 -1,-0.2 0.547 111.0 52.4 -77.7 -4.4 55.3 11.9 39.0 58 67 A R T < 5S- 0 0 21 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.389 113.9-118.0-103.5 -2.2 53.5 9.3 37.0 59 68 A G T < 5S+ 0 0 22 -3,-1.2 4,-0.2 -4,-0.3 -3,-0.2 0.785 88.8 108.0 68.6 27.7 50.1 10.3 38.4 60 69 A L >< + 0 0 2 -5,-2.9 4,-1.7 -6,-0.1 -4,-0.2 0.529 46.9 89.1-105.4 -11.3 49.6 6.9 39.9 61 70 A L H > S+ 0 0 7 -6,-1.0 4,-1.0 1,-0.2 -5,-0.1 0.840 81.5 57.6 -63.5 -34.4 50.1 7.8 43.6 62 71 A D H >> S+ 0 0 119 1,-0.2 3,-0.9 2,-0.2 4,-0.7 0.949 108.0 42.7 -63.2 -52.9 46.5 8.6 44.3 63 72 A R H >4 S+ 0 0 106 1,-0.3 3,-0.6 2,-0.2 -1,-0.2 0.847 111.6 56.6 -66.4 -31.2 44.9 5.3 43.3 64 73 A F H 3< S+ 0 0 2 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.760 108.9 48.2 -65.8 -24.2 47.7 3.4 45.1 65 74 A L H X< S+ 0 0 49 -4,-1.0 3,-1.9 -3,-0.9 2,-0.6 0.523 78.2 121.3 -97.4 -6.3 46.8 5.3 48.2 66 75 A E T << S- 0 0 62 -4,-0.7 -3,-0.0 -3,-0.6 -4,-0.0 -0.437 98.8 -13.4 -59.6 107.7 43.0 4.6 48.1 67 76 A G T 3 S+ 0 0 89 -2,-0.6 2,-0.4 1,-0.2 -1,-0.3 0.798 104.8 149.2 69.4 30.0 42.3 2.8 51.3 68 77 A T < - 0 0 27 -3,-1.9 2,-0.3 31,-0.0 -1,-0.2 -0.780 43.1-138.8-103.9 138.2 46.0 2.3 52.0 69 78 A Q E -I 98 0B 61 29,-0.6 29,-2.6 -2,-0.4 2,-0.3 -0.686 22.7-162.8 -86.3 145.9 47.8 2.0 55.3 70 79 A V E -I 97 0B 53 -2,-0.3 2,-0.4 27,-0.2 27,-0.2 -0.861 10.7-139.3-124.6 161.5 51.1 3.7 55.6 71 80 A A E -I 96 0B 24 25,-2.4 25,-2.4 -2,-0.3 3,-0.0 -0.962 2.8-156.0-121.0 142.7 54.0 3.4 58.0 72 81 A K S S+ 0 0 154 -2,-0.4 14,-0.8 23,-0.2 2,-0.3 0.341 78.4 9.3 -99.4 7.7 56.0 6.4 59.3 73 82 A G E -J 85 0C 28 12,-0.1 12,-0.2 23,-0.1 23,-0.1 -0.962 61.8-145.3-166.4 176.6 59.1 4.3 60.1 74 83 A L E -J 84 0C 37 10,-1.0 10,-3.8 -2,-0.3 2,-0.1 -0.978 21.9-116.7-153.9 145.7 60.8 0.9 59.7 75 84 A P E - 0 0 50 0, 0.0 2,-0.5 0, 0.0 5,-0.2 -0.419 26.8-134.0 -74.0 157.4 63.0 -1.3 61.8 76 85 A F E > S-J 79 0C 6 3,-1.4 3,-0.9 1,-0.2 6,-0.1 -0.974 79.4 -18.6-118.0 120.9 66.5 -2.1 60.4 77 86 A A T 3 S- 0 0 2 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.884 130.5 -49.9 53.1 42.7 67.7 -5.7 60.6 78 87 A G T 3 S+ 0 0 10 1,-0.2 2,-0.6 -3,-0.1 -1,-0.3 0.713 105.0 134.1 71.9 22.7 65.0 -6.5 63.2 79 88 A I E < +J 76 0C 5 -3,-0.9 -3,-1.4 1,-0.1 -1,-0.2 -0.923 20.5 165.0-108.1 115.1 66.0 -3.5 65.4 80 89 A F E > + 0 0 117 -2,-0.6 3,-1.0 -5,-0.2 -1,-0.1 0.810 60.6 67.1-103.8 -36.6 62.8 -1.6 66.5 81 90 A T E 3 S+ 0 0 102 1,-0.3 2,-0.2 2,-0.0 -1,-0.1 0.813 117.0 28.9 -58.3 -35.2 63.8 0.7 69.4 82 91 A Q E 3 S+ 0 0 82 -6,-0.1 -1,-0.3 283,-0.0 3,-0.1 -0.534 93.1 169.8-124.5 65.9 65.9 2.8 67.1 83 92 A G E < - 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